N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide

C11H15NO3 — CID 20616558

IUPACN-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCC(O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-11(15)12-7-10(14)8-4-3-5-9(13)6-8/h3-6,10,13-14H,2,7H2,1H3,(H,12,15)
InChIKeyLMBHNPZYFLTVPD-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.95
Rot. Bonds4

About N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide

N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide (PubChem CID 20616558) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
PubChem CID20616558
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC NameN-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCC(O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-11(15)12-7-10(14)8-4-3-5-9(13)6-8/h3-6,10,13-14H,2,7H2,1H3,(H,12,15)
InChIKeyLMBHNPZYFLTVPD-UHFFFAOYSA-N
XLogP0.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]tetradecanamide
CID 71458404
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
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CID 68717826
3-[(1R)-1-hydroxy-2-(trideuterio(113C)methylamino)ethyl]phenol
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1-cycloheptyl-3-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]urea
CID 119060582
[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid
CID 67296637
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
N-(3-hydroxy-2-methyl-3-phenylpropyl)propanamide
CID 67678172
1-(3-hydroxyphenyl)-1-methoxybutan-2-one
CID 83226773
3-[(1S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol
CID 7435960

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide?
The IUPAC name of N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide (CID 20616558) is N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide?
The canonical SMILES for N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide is CCC(=O)NCC(O)c1cccc(O)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide?
The InChIKey is LMBHNPZYFLTVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-11(15)12-7-10(14)8-4-3-5-9(13)6-8/h3-6,10,13-14H,2,7H2,1H3,(H,12,15).
What are the key properties of N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide?
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide has a molecular weight of 209.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide is sourced from PubChem (CID 20616558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).